Materials Data on CS3 by Materials Project

doi:10.17188/1656284

Title: Materials Data on CS3 by Materials Project

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Abstract

CS3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen carbonotrithioic acid molecules. C2- is bonded in a trigonal planar geometry to three S+0.67+ atoms. All C–S bond lengths are 1.67 Å. There are three inequivalent S+0.67+ sites. In the first S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one C2- atom. In the second S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one C2- atom. In the third S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one C2- atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1199888

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; CS3; C-S

OSTI Identifier:: 1656284

DOI:: https://doi.org/10.17188/1656284

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                    The Materials Project. Materials Data on CS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1656284.

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                    The Materials Project. Materials Data on CS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656284

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                    The Materials Project. 2020.  
"Materials Data on CS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656284.  https://www.osti.gov/servlets/purl/1656284. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1656284,

  title        = {Materials Data on CS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CS3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen carbonotrithioic acid molecules. C2- is bonded in a trigonal planar geometry to three S+0.67+ atoms. All C–S bond lengths are 1.67 Å. There are three inequivalent S+0.67+ sites. In the first S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one C2- atom. In the second S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one C2- atom. In the third S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one C2- atom.},

  doi          = {10.17188/1656284},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1656284

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